Monoethylene glycol phthalate Ethyl Phathalylethylgylcolate

Structural formula

Business number	01V0
Molecular formula	C14H16O6
Molecular weight	280.27
label	Ethoxycarbonylmethylethyl phthalate, Ethoxycarbonylmethyl Ethyl Phthalate, Diethyl o-carboxybenzoyloxyacetate, Phthalic Acid Ethoxycarbonylmethyl Ethyl Ester

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:84-72-0

MDL number:None

EINECS number:201-555-3

RTECS number:TI2060000

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

1. Character: Uncertain.

2. Density (g/mL,25/4℃): 1.19

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC): Unsure

5. Boiling point (ºC,Normal pressure): Uncertain

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flash Point (ºC): 185

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): Unsure

11. Vapor pressure (kPa,25ºC): Unsure

17. Explosion limit (%,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility: Uncertain.

Toxicological data

1, acute toxicity:

Mouse caliber LD50: 5660 ug/kg; mouse abdominal cavity LD50 ：4380mg/kg;

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 70.10

2. Molar Volume (m³/mol）：234.7

3. isotonic specific volume (90.2K):600.8

4. Surface Tension (dyne/cm):42.9

5. Polarizability（10^-24cm³):27.79

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: none

6. Topological molecule polar surface area 78.9

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 352

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

=left>1. Molar refractive index:70.10

2. Molar Volume (m³/mol）：234.7

3. isotonic specific volume (90.2K):600.8

4. Surface Tension (dyne/cm):42.9

5. Polarizability（10^-24cm³):27.79

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: none

6. Topological molecule polar surface area 78.9

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 352

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

None yet

Purpose

None yet